22 citations · 38 across the 4 of their papers we have counts for
4 papers
User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces
Samuel Mattoso, Jing Yang, Florian Deißenbeck +5
Introducing electric fields into density functional theory (DFT) calculations is essential for understanding electrochemical processes, interfacial phenomena, and the behavior of m…
First principles approaches and concepts for electrochemical systems
Mira Todorova, Stefan Wippermann, Jörg Neugebauer
Ab initio techniques have revolutionised the way in which theory can help practitioners to explore critical mechanisms that govern reactions or properties, and to develop new strat…
On the origin of univalent Mg ions in solution and their role in anomalous anodic hydrogen evolution
Florian Deißenbeck, Sudarsan Surendralal, Mira Todorova +2
Aqueous metal corrosion is a major economic concern in modern society. A phenomenon that has puzzled generations of scientists in this field is the so-called anomalous hydrogen evo…
Valley-controlled photoswitching of metal-insulator nanotextures
Hannes Böckmann, Jan Gerrit Horstmann, Felix Kurtz +5
Spatial heterogeneity and phase competition are hallmarks of strongly-correlated materials, promising tunable functionality on the nanoscale. Light-induced switching of a correlate…